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| CAS No.: | 90924-43-9 |
|---|---|
| Name: | 6-Methoxy-1H-indole-3-carboxylic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H9NO3 |
| Molecular Weight: | 191.18 |
| Synonyms: | Indole-3-carboxylicacid, 6-methoxy- (7CI);6-Methoxyindole-3-carboxylic acid;SBB067199; |
| Density: | 1.381 g/cm3 |
| Boiling Point: | 447.575 °C at 760 mmHg |
| Flash Point: | 224.486 °C |
| PSA: | 62.32000 |
| LogP: | 1.87470 |
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Specification
The 6-Methoxy-1H-indole-3-carboxylic acid with CAS registry number of 90924-43-9 is also known as 1H-Indole-3-carboxylicacid, 6-methoxy-. The IUPAC name and product name are the same. It belongs to product categories of Pharmacetical; Heterocycles Series; Indoline & Oxindole. In addition, the formula is C10H9NO3 and the molecular weight is 191.18.
Physical properties about 6-Methoxy-1H-indole-3-carboxylic acid are: (1)ACD/LogP: 2.09; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.677; (10)Molar Refractivity: 52.137 cm3; (11)Molar Volume: 138.404 cm3; (12)Surface Tension: 62.731 dyne/cm; (13)Density: 1.381 g/cm3; (14)Flash Point: 224.486 °C; (15)Enthalpy of Vaporization: 74.396 kJ/mol; (16)Boiling Point: 447.575 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC2=C(C=C1)C(=CN2)C(=O)O
2. InChI: InChI=1S/C10H9NO3/c1-14-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)
3. InChIKey: LPBGVZVDBKMWFS-UHFFFAOYSA-N